N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-4,4,4-trifluorobutanamide

C18H27F3N2O2 — CID 155501471

IUPACN-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-4,4,4-trifluorobutanamide
SMILESO=C(CCC(F)(F)F)NC[C@H]1[C@H]2CN(C3CCCC3)C[C@]23CC[C@H]1O3
InChIInChI=1S/C18H27F3N2O2/c19-18(20,21)8-6-16(24)22-9-13-14-10-23(12-3-1-2-4-12)11-17(14)7-5-15(13)25-17/h12-15H,1-11H2,(H,22,24)/t13-,14+,15+,17+/m0/s1
InChIKeyGQANIOBVRWOWFA-KLZNWCGWSA-N
MW360.42 g/mol
LogP2.87
Rot. Bonds5

About N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-4,4,4-trifluorobutanamide

N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-4,4,4-trifluorobutanamide (PubChem CID 155501471) has the molecular formula C18H27F3N2O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-4,4,4-trifluorobutanamide.

Molecular Properties

Compound NameN-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-4,4,4-trifluorobutanamide
PubChem CID155501471
Molecular FormulaC18H27F3N2O2
Molecular Weight360.42 g/mol
Exact Mass360.20
IUPAC NameN-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-4,4,4-trifluorobutanamide
SMILESO=C(CCC(F)(F)F)NC[C@H]1[C@H]2CN(C3CCCC3)C[C@]23CC[C@H]1O3
InChIInChI=1S/C18H27F3N2O2/c19-18(20,21)8-6-16(24)22-9-13-14-10-23(12-3-1-2-4-12)11-17(14)7-5-15(13)25-17/h12-15H,1-11H2,(H,22,24)/t13-,14+,15+,17+/m0/s1
InChIKeyGQANIOBVRWOWFA-KLZNWCGWSA-N
XLogP2.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-4,4,4-trifluorobutanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-4,4,4-trifluorobutanamide?
The IUPAC name of N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-4,4,4-trifluorobutanamide (CID 155501471) is N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-4,4,4-trifluorobutanamide.
What is the SMILES notation for N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-4,4,4-trifluorobutanamide?
The canonical SMILES for N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-4,4,4-trifluorobutanamide is O=C(CCC(F)(F)F)NC[C@H]1[C@H]2CN(C3CCCC3)C[C@]23CC[C@H]1O3.
What is the InChIKey of N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-4,4,4-trifluorobutanamide?
The InChIKey is GQANIOBVRWOWFA-KLZNWCGWSA-N. The full InChI is InChI=1S/C18H27F3N2O2/c19-18(20,21)8-6-16(24)22-9-13-14-10-23(12-3-1-2-4-12)11-17(14)7-5-15(13)25-17/h12-15H,1-11H2,(H,22,24)/t13-,14+,15+,17+/m0/s1.
What are the key properties of N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-4,4,4-trifluorobutanamide?
N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-4,4,4-trifluorobutanamide has a molecular weight of 360.42 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-4,4,4-trifluorobutanamide is sourced from PubChem (CID 155501471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).